SCHEMBL244690

SCHEMBL244690

COc1cc(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)ccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.60
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SMPD1 P17405 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAPK11 Q15759 9/20 0.52
MAPK14 Q16539 9/20 0.52
NPC1 O15118 2/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CHEK1 O14757 1/20 0.49
PIM1 P11309 1/20 0.49
MAPK8 P45983 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL239890 0.91 BRD4 (0.61) BRD4MEN1KMT2AMAPK11MAPK14
SCHEMBL244319 0.89 MAPK14 (0.57) BRD4MAPK11MAPK14
SCHEMBL244207 0.89 BRD4 (0.58) BRD4KDM4EMAPK11MAPK14ALDH1A1
SCHEMBL243675 0.89 BRD4 (0.58) BRD4MEN1KMT2AMAPK11MAPK14
SCHEMBL242627 0.86 CTDSP1 (0.58) BRD4MEN1KMT2AMAPK11MAPK14
SCHEMBL242057 0.84 HDAC1 (0.58) BRD4MEN1KMT2ASMPD1HDAC1
SCHEMBL241870 0.83 MAPK14 (0.58) KDM4EMEN1KMT2AMAPK11MAPK14
SCHEMBL243595 0.83 NOX1 (0.56) MAPK11MAPK14
SCHEMBL243811 0.81 MAPK14 (0.52) BRD4MAPK11MAPK14
SCHEMBL243394 0.81 MAPK14 (0.58) MAPK11MAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130035346-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2013-02-07 US claimed
EP-1699766-B1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2010-08-11 EP claimed
US-20070135440-A1 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASTRAZENECA AB (SE) 2007-06-14 US claimed
US-8742124-B2 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASTRAZENECA AB (SE) 2014-06-03 US disclosed
US-20130035346-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2013-02-07 US disclosed
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2012-01-05 US disclosed
US-7943776-B2 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASRAZENECA AB (SE) 2011-05-17 US disclosed
US-20070135440-A1 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASTRAZENECA AB (SE) 2007-06-14 US disclosed
EP-1699766-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061465-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTO KINE INHIBITORS ASTRAZENECA AB (SE) 2005-07-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070135440-A1 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors IL2, IL6, IL1B BRD4 810/4885KDM4E 1904/4885MEN1 4202/4885
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B BRD4 913/4885KDM4E 2025/4885MEN1 4214/4885
US-20130035346-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B BRD4 913/4885KDM4E 2025/4885MEN1 4214/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.